8SLO
Plasmodium falciparum M1 aminopeptidase bound to selective inhibitor MIPS2673
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.398, 108.526, 117.548 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.580 - 1.550 |
| R-factor | 0.1727 |
| Rwork | 0.171 |
| R-free | 0.20170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.871 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.580 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.146 | 1.869 |
| Rmeas | 0.157 | 2.028 |
| Rpim | 0.057 | 0.772 |
| Total number of observations | 1038039 | 39097 |
| Number of reflections | 139772 | 6064 |
| <I/σ(I)> | 8.5 | 0.9 |
| Completeness [%] | 98.6 | |
| Redundancy | 7.4 | 6.4 |
| CC(1/2) | 0.997 | 0.385 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 22% (v/v) PEG 8000, 10% (v/v) glycerol, 0.1 M Tris pH 8.5, 0.2 M MgCl2 |
